1-(4-Bromophenyl)-2-hydroxyethan-1-one

C8H7BrO2CAS 3343-45-1215.05 g/mol

Open in Covalent MOL file
OHOBr
AlcoholAryl halideKetone

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
1.62Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3343-45-1
SMILES
C1=CC(=CC=C1C(=O)CO)Br
InChIKey
FGROGLJVXNYNQC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-(4-Bromophenyl)-2-hydroxyethan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromophenacyl bromide99-73-062 % similar α-Hydroxyacetophenone582-24-161 % similar 4′-Bromopropiophenone10342-83-360 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-660 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-360 % similar 4-Bromo-γ-oxobenzenebutanoic acid6340-79-058 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-956 % similar 1-(4-Bromophenyl)-1-butanone4981-64-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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